[gmx-users] Couette flow

Manik Mayur manik.mayur at gmail.com
Fri Apr 3 16:38:24 CEST 2009


With reference to


I would like to know if anybody has successfully simulated couette flow
using GROMACS. If yes, then please suggest what specific steps has to be
taken. If no, then are the developers planning to implement giving constant
velocity to a group of atoms, as we can do in LAMMPS, in future versions.

It will really be a life saver if GROMACS can be used for such problems.
Also can we build GROMACS as a library to be called from customized codes?

Manik Mayur
Graduate student
Microfluidics Lab
Dept. of Mechanical Engg.
IIT Kharagpur
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